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C15817

PropertiesImageOccurences in reactions
MNX_IDMNXM737473Image of MNXM737473
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC40H44FeN6O8S2
charge-2
mass856.20224
referenceseedM:cpd14553
InChIKeyWKYVSAJNXWVOCL-HJLXNXMMSA-J
InChIInChI=1S/C40H48N6O8S2.Fe/c1-17-23(7-9-35(47)48)31-14-32-24(8-10-36(49)50)18(2)28(44-32)12-33-38(22(6)56-16-26(42)40(53)54)20(4)30(46-33)13-34-37(21(5)55-15-25(41)39(51)52)19(3)29(45-34)11-27(17)43-31;/h11-14,21-22,25-26H,7-10,15-16,41-42H2,1-6H3,(H6,43,44,45,46,47,48,49,50,51,52,53,54);/q;+2/p-4/b27-11?,28-12?,29-11-,30-13?,31-14-,32-14?,33-12-,34-13-;/t21?,22?,25-,26-;/m0./s1
SMILESCC1=C(CCC(=O)[O-])/C2=C/c3c(CCC(=O)[O-])c(C)c4n3[Fe]n3/c(c(C)c(C(C)SC[C@H]([NH3+])C(=O)[O-])/c3=C/C3=N/C(=C\4)C(C(C)SC[C@H]([NH3+])C(=O)[O-])=C3C)=C\C1=N2
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd14553
seedM:cpd14553 		C15817
seedM:M_cpd14553 secondary/obsolete/fantasy identifier